UCSF

ZINC00899550

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 0.46 -8.46 1 3 0 38 230.263 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4877881; US4924002; US5208251 IBM Patent Data
PUBCHEM_PATENT_ID US5208251 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )